SCHEMBL19796928

SCHEMBL19796928

C=CC(=O)OCc1cc(-c2ccc3cc(CCCO)ccc3c2)ccc1C1CCC(CCCCC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.41
HCAR2 Q8TDS4 1/20 0.33
BCHE P06276 1/20 0.33
THRA P10827 4/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR1 P21453 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MEN1 O00255 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19796925 0.90 THRB (0.39) THRBTHRAFFAR4ITGB3ITGA2B
SCHEMBL19804662 0.87 THRB (0.36) THRBFFAR4S1PR3S1PR1CYP4F2
SCHEMBL19796929 0.84 THRB (0.45) THRBTHRAPPARACYP4F2CYP4A11
SCHEMBL19797106 0.80 THRB (0.39) THRBTHRAFFAR4S1PR3PPARA
SCHEMBL19796473 0.80 THRB (0.44) THRBBCHETHRAFFAR4CYP4F2
SCHEMBL19797128 0.79 FFAR4 (0.38) THRBTHRAFFAR4SPHK1S1PR3
SCHEMBL19797100 0.79 FFAR4 (0.39) THRBFFAR4SPHK1CYP2C9
SCHEMBL19796839 0.79 SPHK1 (0.37) THRBFFAR4SPHK1PPARGPPARA
SCHEMBL19797068 0.78 SPHK1 (0.38) THRBTHRAFFAR4SPHK1CYP2C9
SCHEMBL19797099 0.78 FFAR4 (0.38) THRBFFAR4SPHK1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 THRB 4323/4885HCAR2 2594/4885BCHE 4080/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.